11 research outputs found
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Report on the sixth blind test of organic crystal structure prediction methods.
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. This blind test has seen substantial growth in the number of participants, with the broad range of prediction methods giving a unique insight into the state of the art in the field. Significant progress has been seen in treating flexible molecules, usage of hierarchical approaches to ranking structures, the application of density-functional approximations, and the establishment of new workflows and `best practices' for performing CSP calculations. All of the targets, apart from a single potentially disordered Z' = 2 polymorph of the drug candidate, were predicted by at least one submission. Despite many remaining challenges, it is clear that CSP methods are becoming more applicable to a wider range of real systems, including salts, hydrates and larger flexible molecules. The results also highlight the potential for CSP calculations to complement and augment experimental studies of organic solid forms
Modern tests of Lorentz invariance
Motivated by ideas about quantum gravity, a tremendous amount of effort over
the past decade has gone into testing Lorentz invariance in various regimes.
This review summarizes both the theoretical frameworks for tests of Lorentz
invariance and experimental advances that have made new high precision tests
possible. The current constraints on Lorentz violating effects from both
terrestrial experiments and astrophysical observations are presented.Comment: Modified and expanded discussions of various points. Numerous
references added. Version matches that accepted by Living Reviews in
Relativit
